6,6'-di-t-butoxy terpyridine

C₂₃H₂₇N₃O₂ — CID 155819088

About 6,6'-di-t-butoxy terpyridine

6,6'-di-t-butoxy terpyridine (PubChem CID 155819088) has the molecular formula C₂₃H₂₇N₃O₂ and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 6,6'-di-t-butoxy terpyridine
• PubChem CID: 155819088
• Molecular Formula: C₂₃H₂₇N₃O₂
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine
• SMILES: CC(C)(C)Oc1cccc(-c2nc(OC(C)(C)C)ccc2-c2ccccn2)n1
• InChI: InChI=1S/C23H27N3O2/c1-22(2,3)27-19-12-9-11-18(25-19)21-16(17-10-7-8-15-24-17)13-14-20(26-21)28-23(4,5)6/h7-15H,1-6H3
• InChIKey: IJBASROWNOXVQA-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,6'-di-t-butoxy terpyridine?

The IUPAC name of 6,6'-di-t-butoxy terpyridine (CID 155819088) is 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine.

What is the SMILES notation for 6,6'-di-t-butoxy terpyridine?

The canonical SMILES for 6,6'-di-t-butoxy terpyridine is CC(C)(C)Oc1cccc(-c2nc(OC(C)(C)C)ccc2-c2ccccn2)n1.

What is the InChIKey of 6,6'-di-t-butoxy terpyridine?

The InChIKey is IJBASROWNOXVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-22(2,3)27-19-12-9-11-18(25-19)21-16(17-10-7-8-15-24-17)13-14-20(26-21)28-23(4,5)6/h7-15H,1-6H3.

What are the key properties of 6,6'-di-t-butoxy terpyridine?

6,6'-di-t-butoxy terpyridine has a molecular weight of 377.49 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6'-di-t-butoxy terpyridine is sourced from PubChem (CID 155819088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155819088 — identifiers, structure, computed properties (public domain)

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